methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate

C24H36O4Si — CID 134833844

About methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate

methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate (PubChem CID 134833844) has the molecular formula C24H36O4Si and a molecular weight of 416.63 g/mol. Its IUPAC name is methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate.

Molecular Properties

• Compound Name: methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
• PubChem CID: 134833844
• Molecular Formula: C24H36O4Si
• Molecular Weight: 416.63 g/mol
• Exact Mass: 416.24
• IUPAC Name: methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate
• SMILES: COC(=O)/C=C\C[C@@H](C/C=C/C(=O)CCc1ccccc1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H36O4Si/c1-24(2,3)29(5,6)28-22(16-11-17-23(26)27-4)15-10-14-21(25)19-18-20-12-8-7-9-13-20/h7-14,17,22H,15-16,18-19H2,1-6H3/b14-10+,17-11-/t22-/m1/s1
• InChIKey: AWESTMHLIJGMOA-KRQAISLNSA-N
• XLogP: 5.64
• TPSA: 52.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.63
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate?

The IUPAC name of methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate (CID 134833844) is methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate.

What is the SMILES notation for methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate?

The canonical SMILES for methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate is COC(=O)/C=C\C[C@@H](C/C=C/C(=O)CCc1ccccc1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate?

The InChIKey is AWESTMHLIJGMOA-KRQAISLNSA-N. The full InChI is InChI=1S/C24H36O4Si/c1-24(2,3)29(5,6)28-22(16-11-17-23(26)27-4)15-10-14-21(25)19-18-20-12-8-7-9-13-20/h7-14,17,22H,15-16,18-19H2,1-6H3/b14-10+,17-11-/t22-/m1/s1.

What are the key properties of methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate?

methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate has a molecular weight of 416.63 g/mol, XLogP of 5.64, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z,5R,7E)-5-[tert-butyl(dimethyl)silyl]oxy-9-oxo-11-phenylundeca-2,7-dienoate is sourced from PubChem (CID 134833844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).